3-[(4-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)indole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)indole Openeye Name: 1-benzyl-3-[(4-nitrophenyl)methylsulfanyl]indole CAS Name: 3-[(4-nitrophenyl)methylthio]-1-(phenylmethyl)indole IUPAC Name: 1-benzyl-3-[(4-nitrophenyl)methylsulfanyl]indole Traditional Name: 1-benzyl-3-[(4-nitrobenzyl)thio]indole Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O2S/c25-24(26)19-12-10-18(11-13-19)16-27-22-15-23(14-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22/h1-13,15H,14,16H2